SCHEMBL991703

SCHEMBL991703

CCCCCCCCCCCCCCOc1ccc(C(=O)OCCCN2CCCCC2)o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ HRH3 Q9Y5N1 6/20 0.50
▸ THRB P10828 4/20 0.49
▸ THRA P10827 2/20 0.49
▸ CYP2D6 P10635 2/20 0.49
▸ LTA4H P09960 1/20 0.47
▸ KCNH2 Q12809 2/20 0.46
▸ NMT2 O60551 1/20 0.45
▸ NMT1 P30419 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ CHRM4 P08173 1/20 0.44
▸ CHRM5 P08912 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ ADRA2C P18825 1/20 0.44
▸ DRD4 P21917 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11555049 0.94 KMT2A (0.56) MEN1KMT2ATDP1HRH3THRB
SCHEMBL993875 0.94 KMT2A (0.56) MEN1KMT2ATDP1HRH3THRB
SCHEMBL992134 0.90 KMT2A (0.54) MEN1KMT2ATDP1HRH3THRB
SCHEMBL18013744 0.86 TDP1 (0.73) MEN1KMT2ATDP1ALDH1A1LMNA
SCHEMBL991095 0.84 KMT2A (0.55) MEN1KMT2ATDP1HRH3THRB
SCHEMBL991535 0.82 TDP1 (0.55) MEN1KMT2ATDP1SMN1; SMN2POLB
SCHEMBL11847065 0.82 MEN1 (0.52) MEN1KMT2ATDP1HRH3THRB
SCHEMBL992355 0.81 MEN1 (0.66) MEN1KMT2ATDP1ALDH1A1LMNA
SCHEMBL11554831 0.79 MEN1 (0.71) MEN1KMT2ATDP1ALDH1A1LMNA
SCHEMBL11558044 0.79 MEN1 (0.71) MEN1KMT2ATDP1ALDH1A1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9782382-B2 TOFA analogs useful in treating dermatological disorders or conditions DERMIRA (CANADA), INC. (US) 2017-10-10 — — US disclosed
US-20160338988-A1 TOFA ANALOGS USEFUL IN TREATING DERMATOLOGICAL DISORDERS OR CONDITIONS DERMIRA (CANADA) INC (US) 2016-11-24 — — US disclosed
US-9434718-B2 TOFA analogs useful in treating dermatological disorders or conditions DERMIRA (CANADA), INC. (US) 2016-09-06 — — US disclosed
EP-2641906-B1 Tofa analogs useful in treating dermatological disorders or conditions DERMIRA CANADA INC (US) 2015-04-22 — — EP disclosed
US-20150025069-A1 TOFA ANALOGS USEFUL IN TREATING DERMATOLOGICAL DISORDERS OR CONDITIONS DERMIRA CANADA INC (US) 2015-01-22 — — US disclosed
US-8884034-B2 TOFA analogs useful in treating dermatological disorders or conditions DERMIRA (CANADA), INC. (US) 2014-11-11 — — US disclosed
EP-2451796-B1 TOFA ANALOGS USEFUL IN TREATING DERMATOLOGICAL DISORDERS OR CONDITIONS DERMIRA CANADA INC (US) 2013-04-17 — — EP disclosed
US-20120208807-A1 TOFA ANALOGS USEFUL IN TREATING DERMATOLOGICAL DISORDERS OR CONDITIONS Valocor Therapeutics, Inc. (CA) 2012-08-16 — — US disclosed
EP-2451796-A1 TOFA ANALOGS USEFUL IN TREATING DERMATOLOGICAL DISORDERS OR CONDITIONS Dermira (Canada), Inc. (CA) 2012-05-16 — — EP disclosed
WO-2011005660-A1 TOFA ANALOGS USEFUL IN TREATING DERMATOLOGICAL DISORDERS OR CONDITIONS Valocor Therapeutics, Inc. (CA) 2011-01-13 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150025069-A1 TOFA ANALOGS USEFUL IN TREATING DERMATOLOGICAL DISORDERS OR CONDITIONS FAH, CUTA, ALOX5AP MEN1 4056/4885KMT2A 2716/4885TDP1 3363/4885
US-20160338988-A1 TOFA ANALOGS USEFUL IN TREATING DERMATOLOGICAL DISORDERS OR CONDITIONS FAH, CUTA, ALOX5AP MEN1 4056/4885KMT2A 2716/4885TDP1 3363/4885
US-20120208807-A1 TOFA ANALOGS USEFUL IN TREATING DERMATOLOGICAL DISORDERS OR CONDITIONS FAH, CUTA, ALOX5AP MEN1 3929/4885KMT2A 3026/4885TDP1 3323/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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